1-butanoyloxypropan-2-yl 4-(4-nonylphenyl)benzoate

Systemtic Name: 1-butanoyloxypropan-2-yl 4-(4-nonylphenyl)benzoate Openeye Name: (2-butanoyloxy-1-methyl-ethyl) 4-(4-nonylphenyl)benzoate CAS Name: 4-(4-nonylphenyl)benzoic acid 1-(1-oxobutoxy)propan-2-yl ester IUPAC Name: 1-butanoyloxypropan-2-yl 4-(4-nonylphenyl)benzoate Traditional Name: 4-(4-nonylphenyl)benzoic acid (2-butyryloxy-1-methyl-ethyl) ester Formula: C29H40O4 MolecularWeight: 452.6255

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)COC(=O)CCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)COC(=O)CCC

InChI

InChI=1S/C29H40O4/c1-4-6-7-8-9-10-11-13-24-14-16-25(17-15-24)26-18-20-27(21-19-26)29(31)33-23(3)22-32-28(30)12-5-2/h14-21,23H,4-13,22H2,1-3H3